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Eingeladener Vortrag
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Gas chromatography using atmospheric pressure chemical ionization coupled to mass spectrometry (GC/APCI-MS) is an emerging metabolomics platform, providing much-enhanced capabilities for structural mass spectrometry as compared to traditional electron ionization (EI)-based techniques. To exploit the potential of GC/APCI-MS for more comprehensive metabolite annotation, a major bottleneck in metabolomics, we here present the novel R-based tool InterpretMSSpectrum assisting in the common task of annotating and evaluating in-source mass spectra as obtained from typical full-scan experiments. After passing a list of mass-intensity pairs, InterpretMSSpectrum locates the molecular ion (M0), fragment, and adduct peaks, calculates their most likely sum formula combination, and graphically summarizes results as an annotated mass spectrum. Using (modifiable) filter rules for the commonly used methoximated-trimethylsilylated (MeOx-TMS) derivatives, covering elemental composition, typical substructures, neutral losses, and adducts, InterpretMSSpectrum significantly reduces the number of sum formula candidates, minimizing manual effort for postprocessing candidate lists. We demonstrate the utility of InterpretMSSpectrum for 86 in-source spectra of derivatized standard compounds, in which rank-1 sum formula assignments were achieved in 84% of the cases, compared to only 63% when using mass and isotope information on the M0 alone. We further use, for the first time, automated annotation to evaluate the purity of pseudospectra generated by different metabolomics preprocessing tools, showing that automated annotation can serve as an integrative quality measure for peak picking/deconvolution methods. As an R package, InterpretMSSpectrum integrates flexibly into existing metabolomics pipelines and is freely available from CRAN (https://cran.r-project.org/).
Dieses Dokument fasst den Projekfortschritt des BAM-Projektes "Ermittlung geeigneter Wärmeführungen zur Wasserstoffreduktion
beim Schweißen höherfester Feinkornbaustähle mit modifiziertem
Sprühlichtbogen" im Rahmen des Fachausschusses 1 "Schweißmetallurgie & Werkstoffverhalten" des DVS e. V. zusammen.
Dieses Dokument fasst den Projekfortschritt des BAM-Projektes "Ermittlung geeigneter Wärmeführungen zur Wasserstoffreduktion beim Schweißen höherfester Feinkornbaustähle mit modifiziertem Sprühlichtbogen" im Rahmen des Fachausschusses 1 "Schweißmetallurgie & Werkstoffverhalten" des DVS e. V. zusammen.
In coal-fired power plants using oxyfuel combustion process with carbon capture and sequestration, instead of air, a mixture of oxygen and recirculated flue gas is injected in the boiler. A series of steels were exposed to CO2-SO2-Ar-H2O gas mixtures at 600 °C for 1000 h to compare their high temperature corrosion behavior. During the corrosion process, carburization, decarburization and recrystallization were observed underneath the oxide scale depending on the gas mixture and alloy composition. The conditions that lead to carburization are not yet completely understood, but decarburization can be simulated using thermodynamic and kinetic models. In this work, the results of these simulations are compared with measured values for one of the alloys that displayed a decarburized region. Since the mobility of carbon in the scale is not known, two strategies were adopted: simulation of alloy-atmosphere contact; and estimation of the carbon flux to produce the observed decarburization. The second approach might give an insight on how permeable to carbon the scale is.
The objective of the present work was the investigation and demonstration of the potential of sol-gel alumina layers as corrosion protection of commercial power plant steels under oxyfuel conditions. The starting points of this work were modified Yoldas-sols which were developed in the BAM-department 5.6. These sols were suitable for the spin-coating method only. The application of coatings on tubes by spin-coating is impossible. Therefore, the chemical composition of the modified Yoldas-sol had to be adapted to the dip- and spray-coating techniques.
Exclusively the sol with the composition s-0.52-6-1.5 with a nitrate/aluminium ratio of 0.52; a solid content of 6 wt.% and a PVP (binder) content of 1.5 wt.% could fulfill the necessary criteria: long-term stability; formation of a dense, crack-free and well adhered layer on polished metal surfaces; as well as high protective abilities against corrosion in H2O-CO2-O2-SO2.
The commercial power plant steel X20CrMoV12-1 (X20) and the steel X12Cr13 were successfully coated with the sol s-0.52-6-1.5 by means of the dip-coating method. An at least 400 nm thick alumina layer (δ-Al2O3) is necessary to ensure the corrosion protection of these steels. The corrosion of the coated samples compared to that of the uncoated ones was significantly reduced, even after 1000 h of exposure in a H2O-CO2-O2-SO2 atmosphere at 600°C. Sulfur and carbon were not detected at the substrate surface or beneath the coating. Hence the transport of the flue gas components SO2 and CO2 into as well as through the alumina layer could be hindered. The diffusion of the alloying elements (Cr, Mn, Si) into the alumina layer resulted in the formation of mixed oxides like δ-(Al,Cr)2O3. Formation of such phases considerably contributed to the corrosion protection.
The long-term stability of the sol s-0.52-6-1.5 and the high protective abilities of the alumina layer on commercial power plant steels provide a good basis for an industrial application.
Various methods have been used for introducing fire retardant additives into polymers. Deposition of thick fire retardant coatings directly onto polymer substrates is an alternative technique. An important Advantage of the coating technique is the preservation of the physical and chemical integrity of the polymer material. Moreover, the fire retardancy of the polymer materials can be achieved following their production. Suitable coating materials are inorganics, intumescent, char-forming, oxygendiluting, and cooling or radical quenching layers. The most important problem is to achieve sufficient coating thickness to withstand the direct attack of flame and to protect the polymer bulk from pyrolysis, otherwise blistering of coating, caused by emitted pyrolysis gases, is often observed.
To avoid blistering of coating, the adhesion between polyolefin Substrate and fire retardant coating has to be extraordinarily high.
In order to achieve such a high level of adhesion, the polymer surface has to be modified with adhesion-promoting functional groups. The deposition of thin plasma polymers as adhesion-promoting layers with NH2, OH or COOH groups has been the most suited method. These functional groups are able to form covalent bonds and other interactions between the fire-resistant coating and the plasma-modified polyolefin substrate.
Additionally, the plasma polymer counteracts the strong mechanical stresses in the laminate on exposure to high temperatures by its flexibility. The thick fire retardant coatings were chosen based on “green” ecological aspects to avoid flame-initiated emission of toxic or corrosive gases and remains of toxic char.
Chemical and electrochemical interaction mechanisms of metal-reducing bacteria with gold surfaces
(2016)
Bacterial biofilms are considered one of the salient contributing factors to the deterioration of metals and their alloys, occurring in virtually all environments and across various industrial systems. Considering the sheer magnitude of detrimental effects, it is of pertinent interest to elucidate the interaction mechanisms of sessile bacteria with metal and metal oxide surfaces to facilitate the development of efficient antifouling strategies. A common constituent of microbial communities within aquatic and sedimentary settings, the Shewanella genus consists of facultatively aerobic, Gram-negative bacterium which exhibit exceptional plasticity in respiratory capacities. During aerobic conditions, Shewanella utilizes oxygen as a terminal electron acceptor; conversely, under anaerobic conditions, it is able to undertake respiration by reducing alternative terminal electron acceptors such as oxidized metals via extracellular electron transfer mechanisms not yet thoroughly discerned.
The aim of this work is to explicate the mechanisms governing the initial bacterial adhesion and subsequent biofilm formation on metallic surfaces. To investigate this dynamic interplay, a combined approach has been followed which couples surface enhanced Raman spectroscopy (SERS) with electrochemical techniques using Shewanella sp. model biofilms. Gold nano-islands deposited on thin glass slides have been chosen as inert model substrates with good uniformity and high surface enhancement factor. Furthermore, the utilization of gold as substrate material not only allowed the differentiation of the sole effect of substrate polarization on bacterial attachment but also enabled a precise adjustment of the surface chemistry and surface energy by means of surface functionalization with organothiol self-assembled monolayers.
The results present the correlation of the primary settlement rate of bacteria on metallic substrates with the environmental parameters such as electrolyte composition and pH as well as surface-related properties like hydrophobicity/hydrophilicity and polarization. With the overall strategic goal of transferring this methodology to technical systems the results provide the fundamental basis for the bottom-up design of anti-fouling surfaces.
Chemical and electrochemical interaction mechanisms of metal-reducing bacteria with gold surfaces
(2016)
Bacterial biofilms are considered one of the salient contributing factors to the deterioration of metals and their alloys, occurring in virtually all environments and across various industrial systems. Considering the sheer magnitude of detrimental effects, it is of pertinent interest to elucidate the interaction mechanisms of sessile bacteria with metal and metal oxide surfaces to facilitate the development of efficient antifouling strategies. A common constituent of microbial communities within aquatic and sedimentary settings, the Shewanella genus consists of facultatively aerobic, Gram-negative bacterium which exhibit exceptional plasticity in respiratory capacities. During aerobic conditions, Shewanella utilizes oxygen as a terminal electron acceptor; conversely, under anaerobic conditions, it is able to undertake respiration by reducing alternative terminal electron acceptors such as oxidized metals via extracellular electron transfer mechanisms not yet thoroughly discerned.
The aim of this work is to explicate the mechanisms governing the initial bacterial adhesion and subsequent biofilm formation on metallic surfaces. To investigate this dynamic interplay, a combined approach has been followed which couples surface enhanced Raman spectroscopy (SERS) with electrochemical techniques using Shewanella sp. model biofilms. Gold nano-islands deposited on thin glass slides have been chosen as inert model substrates with good uniformity and high surface enhancement factor. Furthermore, the utilization of gold as substrate material not only allowed the differentiation of the sole effect of substrate polarization on bacterial attachment but also enabled a precise adjustment of the surface chemistry and surface energy by means of surface functionalization with organothiol self-assembled monolayers.
The results present the correlation of the primary settlement rate of bacteria on metallic substrates with the environmental parameters such as electrolyte composition and pH as well as surface-related properties like hydrophobicity/hydrophilicity and polarization. With the overall strategic goal of transferring this methodology to technical systems the results provide the fundamental basis for the bottom-up design of anti-fouling surfaces.
Chemical and electrochemical interaction mechanisms of metal-reducing bacteria with gold surfaces
(2016)
Bacterial biofilms are considered one of the salient contributing factors to the deterioration of metals and their alloys, occurring in virtually all environments and across various industrial systems. Considering the sheer magnitude of detrimental effects, it is of pertinent interest to elucidate the interaction mechanisms of sessile bacteria with metal and metal oxide surfaces to facilitate the development of efficient antifouling strategies. A common constituent of microbial communities within aquatic and sedimentary settings, the Shewanella genus consists of facultatively aerobic, Gram-negative bacterium which exhibit exceptional plasticity in respiratory capacities. During aerobic conditions, Shewanella utilizes oxygen as a terminal electron acceptor; conversely, under anaerobic conditions, it is able to undertake respiration by reducing alternative terminal electron acceptors such as oxidized metals via extracellular electron transfer mechanisms not yet thoroughly discerned.
The aim of this work is to explicate the mechanisms governing the initial bacterial adhesion and subsequent biofilm formation on metallic surfaces. To investigate this dynamic interplay, a combined approach has been followed which couples surface enhanced Raman spectroscopy (SERS) with electrochemical techniques using Shewanella sp. model biofilms. Gold nano-islands deposited on thin glass slides have been chosen as inert model substrates with good uniformity and high surface enhancement factor. Furthermore, the utilization of gold as substrate material not only allowed the differentiation of the sole effect of substrate polarization on bacterial attachment but also enabled a precise adjustment of the surface chemistry and surface energy by means of surface functionalization with organothiol self-assembled monolayers.
The results present the correlation of the primary settlement rate of bacteria on metallic substrates with the environmental parameters such as electrolyte composition and pH as well as surface-related properties like hydrophobicity/hydrophilicity and polarization. With the overall strategic goal of transferring this methodology to technical systems the results provide the fundamental basis for the bottom-up design of anti-fouling surfaces.
Currently available separation channels for asymmetric flow
field-flow fractionation (AF4), which results in long analysis
time and solvent consumption, limits the application of AF4 in
[1} the field of nanoparticle analysis .
A miniaturized AF4 channel was introduced for the rapid
analysis of different nanoparticle samples. UV-Vis-MALS
provides the possibility to measure the particle size and molar
mass and offers a powerful tool for the investigation of
[2] separation performances of different AF4 channels .
Our objective was to develop fast and reliable separation
methods for both channels and enable a direct comparison by
the corresponding chromatographic parameters.
The performance of a miniaturized channel for the separation of polymer and metal nanoparticles (NP) using Asymmetrical Flow Field-Flow Fractionation (AF4) was investigated and compared with a conventional AF4 system. To develop standard separation methods, experimental parameters like cross flow, gradient profile and injection time were varied and optimized. Corresponding chromatographic parameters were calculated and compared. Our results indicate that the chromatographic resolution in the miniaturized channel is lower, whereas significantly shorter analyses time and less solvent consumption were obtained. Moreover, the limit of detection (LOD) and limit of quantification (LOQ) obtained from hyphenation with a UV-detector are obviously lower than in a conventional channel, which makes the miniaturized channel interesting for trace analysis.
Das Recycling von Gipsabfällen wird schon seit einigen Jahren in unterschiedlichem Umfang in mehreren europäischen Ländern betrieben.Für die Verwertung der aufbereiteten RC-Gipse in der Gipsproduktion sind Qualitätsanforderungen festgelegt. Gipskartonplatten sind für die Herstellung von qualitativ hochwertigen RC-Gipsen besonders geeignet. Ein Forschungsprojekt im UFOPLAN des Umweltbundesamtes untersucht den aktuellen Stand des Gipsrecyclings in Deutschland und anderen europäischen Ländern und beleuchtet Hemmnisse und Maßnahmen zur Förderung des Gipsrecyclings in Deutschland. In einer umfassenden Ökobilanz wurden verschiedene Szenarien zur Gewinnung von RC-Gipsen bewertet. In dem Beitrag werden erste Ergebnisse dieses Projektes aufgezeigt.
In impact simulations, the instantaneous change of velocity in the contact area can lead to artificial oscillations. These oscillations might significantly influence the results, especially when nonlinear and rate dependent constitutive formulations are used.
In this work, a nonlinear penalty formulation similar to a soft contact formulation is presented.
Derzeitiger Stand von Wissenschaft und Technik:
Die Inspektion der Rotorblätter von Windenergieanlagen (WEA) erfolgt derzeit durch Sichtinspektion von außen und wenn möglich auch von innen. Das die Wartung ausführende Personal muss sich hierfür von der Gondel aus abseilen oder die Inspektion von einer speziellen Plattform aus durchführen. Dazu muss die WEA für die Dauer der Inspektion außer Betrieb gesetzt werden. Kleinere Schäden am Rotorblatt können sofort ausgebessert werden. In Deutschland ist ein zweijähriges Wartungsintervall vorgeschrieben.
Begründung/Zielsetzung der Untersuchung:
Das bisher angewandte Verfahren der individuellen Nahinspektion aller Rotorblätter lässt nicht ohne weiteres auf den Offshore-Bereich übertragen. Allein der notwendige Umstieg von einem Boot auf eine fest stehende Plattform bei geringem Wellengang von 1 m Wellenhöhe veranschaulicht die Schwierigkeiten. Weitere typische Probleme sind eingeschränkte Zugänglichkeit bei Schlechtwetterlagen, lange Anfahrtswege und das schlecht kalkulierbare Risiko der Seekrankheit. Es besteht daher Bedarf an neuen Inspektionsmethoden, bei denen die WEA nicht direkt begangen werden muss. Ein entsprechendes Verfahren könnte auch im onshore-Bereich eingesetzt werden, um Wartungsintervalle zu optimieren und Stillstandszeiten zu minimieren.
Methode:
Thermografische Verfahren sind berührungslos und werden bereits zur Rotorblattinspektion eingesetzt, allerdings nur während der Fertigung und dicht am Rotorblatt. Weiterhin ist bekannt, dass Thermografiekameras auch auf Hubschraubern eingesetzt werden, z.B. zur Personensuche. Im Rahmen des Projektes soll untersucht und evaluiert werden, ob Thermografie auf größere Entfernungen zur Untersuchung von Rotorblättern geeignet ist. Gemäß Projektplan sind vor allem Laboruntersuchungen an geeigneten Probekörpern sowie Außenmessungen an WEA geplant. Damit soll das Potenzial der thermografischen Ferninspektion von Rotorblättern evaluiert werden.
Ergebnis:
1. Die Untersuchungen an Rotorblattausschnitten mit verschiedenartigen Fehlern im Labormaßstab belegten die Eignung der Thermografie als zerstörungsfreie Prüfmethode für Rotorblätter.
2. Langzeituntersuchungen an einem Teilbereich eines Rotorblatts in einer Freiluftanordnung zeigten, dass messbare thermische Kontraste an inneren Strukturen oder an inneren Fehlern unter verschiedenartigen Wetterbedingungen entstehen können.
3. Bei Messungen an Rotorblättern im montierten Zustand, d.h. an einer intakten WEA, treten entsprechende thermische Kontraste ebenfalls auf. Allerdings ist die Nachweisbarkeit erschwert durch Reflexionen aus der Umwelt sowie durch Wind, der zu charakteristischen thermischen Streifenmustern auf den Rotorblättern führt. Bei Messungen an ruhenden Rotorblättern dominiert der erste Effekt, während der Wind kaum stört. Bei sich drehenden Rotorblättern ist die Situation umgekehrt, störende Reflexionen können korrigiert werden, aber der Wind beeinflusst die thermischen Kontraste beträchtlich, vor allem in nabenfernen Bereichen der Rotorblätter.
Schlussfolgerung/Anwendungsmöglichkeit:
Eine abschließende Evaluierung der Eignung der Thermografie als Ferninspektionsmethode für WEA-Rotorblätter konnte nicht vorgenommen werden. Ursache hierfür sind sowohl die vielfältigen Störfaktoren bei einer Freiluftmessung als auch das Fehlen einer geeigneten Referenzanlage, an der typische Rotorblattfehler und –defekte während des Betriebs systematisch beobachtet werden können. Die Schlussfolgerung ist daher, dass weitere Forschungsarbeit notwendig ist, um Möglichkeiten und Einsatzgrenzen einer thermografischen Ferninspektion angeben zu können.
Eine thermografische Rotorblattinspektion ist unter günstigen Witterungsbedingungen anwendbar und kann wahrscheinlich innere Defekte aufdecken, auch wenn der direkte Nachweis innerhalb des Projektes nicht geführt werden konnte. Wenn ein Rotorblatt-Thermogramm Auffälligkeiten aufweist, vor allem im Vergleich zu den beiden anderen Rotorblättern der gleichen Anlage, ist eine nähere Untersuchung der entsprechenden Stelle zu empfehlen. Das Auftreten solcher Kontraste, deren räumliche Ausdehnung und Ausprägung hängen jedoch von vielfältigen Faktoren ab und sind gemäß jetzigem Kenntnisstand noch nicht voll verstanden.
Reliable analysis of chemical indicators in water, sediment and soil samples for the purpose of environmental pollution assessment poses one of the greatest analytical challenges, having in mind the complexity of sample matrix and low concentrations of pollutants. Organics (pesticides, PAHs, PFOS, etc.) and heavy metals (Hg, Cd, Ni, Pb and As) represent target parameters. Laboratories performing sampling and tests in this field regulated by respective EU directives, need strong support in order to establish a quality system. It is necessary to provide appropriate calibrators i.e. matrix CRMs relates to the unique sample matrices representing typical samples in the geomorphological and anthropological sense. In addition to that, bearing in mind the complexity and instability of environmental samples, it is very difficult to obtain appropriate referents materials with no local providers.
Our project is aiming to develop capacity to produce CRMs for environmental analysis by transferring the theoretical and practical know-how between the partners and combining their skills to focus on environmental CRM production in accordance with ISO Guide 34. Our project will have an impact on environmental monitoring in the partnering countries and on the scientific community, who will use the newly developed reference materials. Furthermore, partners will develop strategies for producing new CRMs either on their own or in cooperation. This will lead to regional CRM producers serving scientific and official laboratories.
This project aims to develop capacity to produce certified reference materials (CRMs) for environmental analysis by transferring know-how between the partners and combining their skills to focus on environmental CRM production. The production process includes good manufacturing practices for processing materials, method development, the validation and application of homogeneity, stability and characterisation tests, the calculation of individual uncertainties (between-unit inhomogeneity, long term stability, characterisation) and combination of uncertainties to determine overall uncertainty of the matrix reference materials. An inter laboratory comparison registered as a EURAMET project is set as the ultimate project outcome, confirming the partners’ capabilities in applying newly acquired skills.
In the beginning of the 1980s earth building has undergone a renaissance, which nowadays leads to an increasing use of load-bearing earth constructions and in particular, earth block masonry. At present, there are no common structural standards according to the semi-probabilistic design concept, which is the state-of-the-art in European standards.
A solid database is needed for the determination of the partial safety factor on the resistance side. Therefore, compressive strength tests were carried out with two types of earth blocks and two types of prefabricated earth mortar. The evaluation showed that the variation of the compressive strength was remarkably less than expected, which seems to indicate high quality standards of the components earth block and mortar with regard to industrial production.
On the basis of these results and together with the reliability method, a partial safety factor for earth block masonry subjected to compression was determined. The main aim of the research was the development of a first valid database for material parameters of earth block masonry with particular regard to statistical characteristics. The results showed that a common calculation method for earth block masonry based on partial safety factors following the valid masonry construction standard is feasible.